4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride

C10H20ClF2N — CID 115058491

IUPAC4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride
SMILESCC(C)(C)C(F)(F)C1CCNCC1.Cl
InChIInChI=1S/C10H19F2N.ClH/c1-9(2,3)10(11,12)8-4-6-13-7-5-8;/h8,13H,4-7H2,1-3H3;1H
InChIKeyZVZOITMLGWYPJE-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.09
Rot. Bonds1

About 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride

4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride (PubChem CID 115058491) has the molecular formula C10H20ClF2N and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride
PubChem CID115058491
Molecular FormulaC10H20ClF2N
Molecular Weight227.73 g/mol
Exact Mass227.13
IUPAC Name4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride
SMILESCC(C)(C)C(F)(F)C1CCNCC1.Cl
InChIInChI=1S/C10H19F2N.ClH/c1-9(2,3)10(11,12)8-4-6-13-7-5-8;/h8,13H,4-7H2,1-3H3;1H
InChIKeyZVZOITMLGWYPJE-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride?
The IUPAC name of 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride (CID 115058491) is 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride?
The canonical SMILES for 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride is CC(C)(C)C(F)(F)C1CCNCC1.Cl.
What is the InChIKey of 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride?
The InChIKey is ZVZOITMLGWYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N.ClH/c1-9(2,3)10(11,12)8-4-6-13-7-5-8;/h8,13H,4-7H2,1-3H3;1H.
What are the key properties of 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride?
4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride is sourced from PubChem (CID 115058491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).